N-[2-(4-fluorophenyl)ethyl]-2,3,4-trimethoxy-N-methylbenzamide

C19H22FNO4 — CID 60571717

IUPACN-[2-(4-fluorophenyl)ethyl]-2,3,4-trimethoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)CCc2ccc(F)cc2)c(OC)c1OC
InChIInChI=1S/C19H22FNO4/c1-21(12-11-13-5-7-14(20)8-6-13)19(22)15-9-10-16(23-2)18(25-4)17(15)24-3/h5-10H,11-12H2,1-4H3
InChIKeyPVRNWYZQAUCRPH-UHFFFAOYSA-N
MW347.39 g/mol
LogP3.17
Rot. Bonds7

About N-[2-(4-fluorophenyl)ethyl]-2,3,4-trimethoxy-N-methylbenzamide

N-[2-(4-fluorophenyl)ethyl]-2,3,4-trimethoxy-N-methylbenzamide (PubChem CID 60571717) has the molecular formula C19H22FNO4 and a molecular weight of 347.39 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2,3,4-trimethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2,3,4-trimethoxy-N-methylbenzamide
PubChem CID60571717
Molecular FormulaC19H22FNO4
Molecular Weight347.39 g/mol
Exact Mass347.15
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2,3,4-trimethoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)CCc2ccc(F)cc2)c(OC)c1OC
InChIInChI=1S/C19H22FNO4/c1-21(12-11-13-5-7-14(20)8-6-13)19(22)15-9-10-16(23-2)18(25-4)17(15)24-3/h5-10H,11-12H2,1-4H3
InChIKeyPVRNWYZQAUCRPH-UHFFFAOYSA-N
XLogP3.17
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-2,3,4-trimethoxy-N-methylbenzamide
CID 60652690
N-(3-hydroxybutyl)-2,3,4-trimethoxy-N-methylbenzamide
CID 115673465
2,3,4-trimethoxy-N-methyl-N-[(4-phenylphenyl)methyl]benzamide
CID 52571877
3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide
CID 110287953
N-[2-(4-fluorophenyl)ethyl]-5-[(2-methoxyphenoxy)methyl]-N-methylfuran-2-carboxamide
CID 86832598
5-fluoro-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzamide
CID 110886002
(4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanone
CID 43588922
N-butyl-2,3-dimethoxy-N-methylbenzamide
CID 78796146
N-(3-amino-2,2-dimethylpropyl)-2,3,4-trimethoxy-N-methylbenzamide;hydrochloride
CID 119654821
4,5,6-trimethoxy-N-methyl-N-(2-pyridin-4-ylethyl)-1H-indole-3-carboxamide
CID 113206750
N-[(5-bromothiophen-3-yl)methyl]-2,3,4-trimethoxy-N-methylbenzamide
CID 60580019
N-(1-aminopropan-2-yl)-2,3,4-trimethoxy-N-methylbenzamide
CID 104556591

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2,3,4-trimethoxy-N-methylbenzamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2,3,4-trimethoxy-N-methylbenzamide (CID 60571717) is N-[2-(4-fluorophenyl)ethyl]-2,3,4-trimethoxy-N-methylbenzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2,3,4-trimethoxy-N-methylbenzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2,3,4-trimethoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)CCc2ccc(F)cc2)c(OC)c1OC.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2,3,4-trimethoxy-N-methylbenzamide?
The InChIKey is PVRNWYZQAUCRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO4/c1-21(12-11-13-5-7-14(20)8-6-13)19(22)15-9-10-16(23-2)18(25-4)17(15)24-3/h5-10H,11-12H2,1-4H3.
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2,3,4-trimethoxy-N-methylbenzamide?
N-[2-(4-fluorophenyl)ethyl]-2,3,4-trimethoxy-N-methylbenzamide has a molecular weight of 347.39 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2,3,4-trimethoxy-N-methylbenzamide is sourced from PubChem (CID 60571717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).